ergo
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This is the complete list of members for GridGenMolInfo, including all inherited members.
getAtom(int icent, int *cnt, real(*coor)[3], int *charge, int *mult) const =0 | GridGenMolInfo | pure virtual |
getBlocks(const real *center, real cellsz, const real *rshell, int *nblcnt, int(*iblcks)[2]) const =0 | GridGenMolInfo | pure virtual |
getExps(int *maxl, int **nucbas, real(**aa)[2]) const =0 | GridGenMolInfo | pure virtual |
GridGenMolInfo(int a, int b, int s) | GridGenMolInfo | inline |
noOfAtoms | GridGenMolInfo | |
noOfBasisFuncs | GridGenMolInfo | |
noOfShells | GridGenMolInfo | |
setShellRadii(real *shellRadii) const =0 | GridGenMolInfo | pure virtual |
~GridGenMolInfo() | GridGenMolInfo | inlinevirtual |